SCHEMBL8347385

SCHEMBL8347385

COc1cc(C(=O)CN2CCC(CCNC(=O)C3(c4ccccc4)CCNCC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 7/20 0.56
TACR1 P25103 7/20 0.56
TACR3 P29371 1/20 0.56
HRH1 P35367 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1421506 0.90 TACR2 (0.66) TACR2TACR1TACR3HRH1
SCHEMBL8310101 0.90 TACR2 (0.66) TACR2TACR1TACR3HRH1
SCHEMBL8353782 0.90 TACR2 (0.58) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL8304865 0.89 TACR2 (0.65) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL19209904 0.89 TACR2 (0.65) TACR2TACR1TACR3HRH1
Maleic Acid SCHEMBL8350268 0.86 TACR2 (0.62) TACR2TACR1TACR3HRH1
SCHEMBL8641307 0.86 TACR2 (0.61) TACR2TACR1TACR3HRH1
SCHEMBL8635837 0.86 TACR2 (0.61) TACR2TACR1TACR3HRH1
SCHEMBL8349618 0.85 TACR2 (0.51) TACR2TACR1TACR3HRH1
SCHEMBL8348353 0.85 TACR2 (0.57) TACR2TACR1TACR3HRH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5861416-A TREATMENT OF ASTHMA OR COUGH MERRELL PHARMACEUTICALS INC. (US) 1999-01-19 US disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed
EP-0696280-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMA (US) 1996-02-14 EP disclosed
WO-1994026735-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-11-24 WO disclosed